Carboxylesterase-IN-2

• CAT Number: I044084
• CAS Number: 2764748-88-9
• Molecular Formula: C13H12N4OS
• Molecular Weight: 272.33
• Purity: ≥95%
• Synonyms: 6-(3,4-dimethylphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
• InChI: InChI=1S/C13H12N4OS/c1-8-3-4-10(7-9(8)2)19-12-6-5-11-14-15-13(18)17(11)16-12/h3-7H,1-2H3,(H,15,18)
• InChIKey: ZODAMEZBCMGEGI-UHFFFAOYSA-N
• SMILES: CC1=C(C=C(C=C1)SC2=NN3C(=NNC3=O)C=C2)C

Carboxylesterase-IN-2 (compound 4u) is a potent inhibitor of Carboxylesterase Notum with an IC50 less than or equal to 10 nM. Notum is a negative regulator of Wnt signaling acting through the hydrolysis of a palmitoleoylate ester, which is required for Wnt activity. Carboxylesterase-IN-2 has the potential for the research of cancer disease[1].

Reference

[1]. Steadman D, et al. Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J Med Chem. 2022;65(1):562-578.
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